CID 59340250

C17H11FIrN- — CID 59340250

IUPAC—
SMILES[CH]Cc1nc(-c2[c-]cccc2)c2ccccc2c1F.[Ir]
InChIInChI=1S/C17H11FN.Ir/c1-2-15-16(18)13-10-6-7-11-14(13)17(19-15)12-8-4-3-5-9-12;/h1,3-8,10-11H,2H2;/q-1;
InChIKeyBYBFUWSRQCTQTK-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.09
Rot. Bonds2

About CID 59340250

CID 59340250 (PubChem CID 59340250) has the molecular formula C17H11FIrN- and a molecular weight of 440.50 g/mol.

Molecular Properties

Compound NameCID 59340250
PubChem CID59340250
Molecular FormulaC17H11FIrN-
Molecular Weight440.50 g/mol
Exact Mass441.05
IUPAC Name—
SMILES[CH]Cc1nc(-c2[c-]cccc2)c2ccccc2c1F.[Ir]
InChIInChI=1S/C17H11FN.Ir/c1-2-15-16(18)13-10-6-7-11-14(13)17(19-15)12-8-4-3-5-9-12;/h1,3-8,10-11H,2H2;/q-1;
InChIKeyBYBFUWSRQCTQTK-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 140815692
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iridium;8-methyl-4-phenyl-3,7-phenanthroline
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Frequently Asked Questions

What is the IUPAC name of CID 59340250?
The IUPAC name of CID 59340250 (CID 59340250) is not available.
What is the SMILES notation for CID 59340250?
The canonical SMILES for CID 59340250 is [CH]Cc1nc(-c2[c-]cccc2)c2ccccc2c1F.[Ir].
What is the InChIKey of CID 59340250?
The InChIKey is BYBFUWSRQCTQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN.Ir/c1-2-15-16(18)13-10-6-7-11-14(13)17(19-15)12-8-4-3-5-9-12;/h1,3-8,10-11H,2H2;/q-1;.
What are the key properties of CID 59340250?
CID 59340250 has a molecular weight of 440.50 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59340250 is sourced from PubChem (CID 59340250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).